3,6-dichloro-2-methoxy-N-(2-morpholin-4-ylsulfonylethyl)benzamide

C14H18Cl2N2O5S — CID 110287643

IUPAC3,6-dichloro-2-methoxy-N-(2-morpholin-4-ylsulfonylethyl)benzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)NCCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H18Cl2N2O5S/c1-22-13-11(16)3-2-10(15)12(13)14(19)17-4-9-24(20,21)18-5-7-23-8-6-18/h2-3H,4-9H2,1H3,(H,17,19)
InChIKeyDNQAWWHGNRPSBK-UHFFFAOYSA-N
MW397.28 g/mol
LogP1.39
Rot. Bonds6

About 3,6-dichloro-2-methoxy-N-(2-morpholin-4-ylsulfonylethyl)benzamide

3,6-dichloro-2-methoxy-N-(2-morpholin-4-ylsulfonylethyl)benzamide (PubChem CID 110287643) has the molecular formula C14H18Cl2N2O5S and a molecular weight of 397.28 g/mol. Its IUPAC name is 3,6-dichloro-2-methoxy-N-(2-morpholin-4-ylsulfonylethyl)benzamide.

Molecular Properties

Compound Name3,6-dichloro-2-methoxy-N-(2-morpholin-4-ylsulfonylethyl)benzamide
PubChem CID110287643
Molecular FormulaC14H18Cl2N2O5S
Molecular Weight397.28 g/mol
Exact Mass396.03
IUPAC Name3,6-dichloro-2-methoxy-N-(2-morpholin-4-ylsulfonylethyl)benzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)NCCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H18Cl2N2O5S/c1-22-13-11(16)3-2-10(15)12(13)14(19)17-4-9-24(20,21)18-5-7-23-8-6-18/h2-3H,4-9H2,1H3,(H,17,19)
InChIKeyDNQAWWHGNRPSBK-UHFFFAOYSA-N
XLogP1.39
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 44961219
(E)-3-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylsulfonylethyl)prop-2-enamide
CID 110306701
2-[(2-chlorophenyl)methyl]-1-ethyl-3-(2-morpholin-4-ylsulfonylethyl)guanidine
CID 111175737
4-(2-chlorophenyl)-N-(2-morpholin-4-ylsulfonylethyl)butanamide
CID 110626706
2,6-dichloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 112803399
1-[(3,4-dichlorophenyl)methyl]-1,2-dimethyl-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 111306192
methyl 4-chloro-3-(3-morpholin-4-ylsulfonylpropanoylamino)benzoate
CID 110296154
N-[2-(4-methoxyphenoxy)ethyl]-3-morpholin-4-ylsulfonylpropanamide
CID 110296118
4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275
N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 2161742
N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3,4,5-trimethoxybenzamide
CID 16881351
3,6-dichloro-N-(4-imidazol-1-ylbutyl)-2-methoxybenzamide
CID 110443039

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-methoxy-N-(2-morpholin-4-ylsulfonylethyl)benzamide?
The IUPAC name of 3,6-dichloro-2-methoxy-N-(2-morpholin-4-ylsulfonylethyl)benzamide (CID 110287643) is 3,6-dichloro-2-methoxy-N-(2-morpholin-4-ylsulfonylethyl)benzamide.
What is the SMILES notation for 3,6-dichloro-2-methoxy-N-(2-morpholin-4-ylsulfonylethyl)benzamide?
The canonical SMILES for 3,6-dichloro-2-methoxy-N-(2-morpholin-4-ylsulfonylethyl)benzamide is COc1c(Cl)ccc(Cl)c1C(=O)NCCS(=O)(=O)N1CCOCC1.
What is the InChIKey of 3,6-dichloro-2-methoxy-N-(2-morpholin-4-ylsulfonylethyl)benzamide?
The InChIKey is DNQAWWHGNRPSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O5S/c1-22-13-11(16)3-2-10(15)12(13)14(19)17-4-9-24(20,21)18-5-7-23-8-6-18/h2-3H,4-9H2,1H3,(H,17,19).
What are the key properties of 3,6-dichloro-2-methoxy-N-(2-morpholin-4-ylsulfonylethyl)benzamide?
3,6-dichloro-2-methoxy-N-(2-morpholin-4-ylsulfonylethyl)benzamide has a molecular weight of 397.28 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-methoxy-N-(2-morpholin-4-ylsulfonylethyl)benzamide is sourced from PubChem (CID 110287643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).